W0Z
Summary
| Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide |
| Formula: | C13 H13 F2 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 313.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(fluoranyl)-3-methoxy-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H13F2N3O4/c1-22-11-9(15)5(4-6(14)10(11)16)12(20)17-7-2-3-8(19)18-13(7)21/h4,7H,2-3,16H2,1H3,(H,17,20)(H,18,19,21)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | AJJIOMGESOLWQL-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1c(N)c(F)cc(C(=O)N[C@H]2CCC(=O)NC2=O)c1F |
| SMILES | CACTVS | 3.385 | COc1c(N)c(F)cc(C(=O)N[CH]2CCC(=O)NC2=O)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1c(c(cc(c1F)C(=O)N[C@H]2CCC(=O)NC2=O)F)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1c(c(cc(c1F)C(=O)NC2CCC(=O)NC2=O)F)N |
